CID 3085961

2,4,6-undecatriene, 2-methyl-

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

CCCCC=CC=CC=C(C)C

InChI

InChI=1S/C12H20/c1-4-5-6-7-8-9-10-11-12(2)3/h7-11H,4-6H2,1-3H3

InChIKey

UIIGNQXUZIMYKD-UHFFFAOYSA-N

Compound name

2-methylundeca-2,4,6-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 164.1565 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.16378	143.3
[M+Na]+	187.14572	153.6
[M+NH4]+	182.19032	150.9
[M+K]+	203.11966	145.7
[M-H]-	163.14922	142.9
[M+Na-2H]-	185.13117	146.3
[M]+	164.15595	144.5
[M]-	164.15705	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe